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Physical Chemistry

Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees

Maximilian Scheurer, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted

Version 1 posted 05 March 2021

557

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Theoretical and Computational Chemistry

Linearly scaling computation of ddPCM solvation energy and forces using the fast multipole method

Aleksandr Mikhalev, Michele Nottoli, Benjamin Stamm

Version 1 posted 20 June 2022

220

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1

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